Geometry & MOs

Info

ID:	442571
PubChem CID:	135253070
Reduced:	OCl2N5H17C21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	389.12949
ΔH_f, kcal/mol:	54.33
Dipole, Da:	5.31
IP(EA), eV:	-8.92(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CN2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations